Xanthiol
3-[4-[3-(2-chloro-9H-thioxanthen-9-yl)propyl]piperazin-1-yl]propan-1-ol
| Molecular Formula | C23H29ClN2OS |
|---|---|
| Molecular Weight | 417.0 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 52.0 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.1689 |
| Heavy Atoms | 28 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 14008-71-0 |
|---|---|
| SMILES | C1CN(CCN1CCCC2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCCO |
| InChIKey | VQLAZPRVCPICCQ-UHFFFAOYSA-N |
📖 Product Overview
Xanthiol (CAS: 14008-71-0) is a chemical compound with molecular formula C23H29ClN2OS and molecular weight 417.0 g/mol. Its IUPAC systematic name is 3-[4-[3-(2-chloro-9H-thioxanthen-9-yl)propyl]piperazin-1-yl]propan-1-ol.
VQLAZPRVCPICCQ-UHFFFAOYSA-N.
SMILES: C1CN(CCN1CCCC2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCCO.
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